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5-(prop-2-ynyl)-1-oxaspiro[5.5]undecan-7-one
SpectraBase Compound ID HdsV0SPZPYn
InChI InChI=1S/C13H18O2/c1-2-6-11-7-5-10-15-13(11)9-4-3-8-12(13)14/h1,11H,3-10H2/t11-,13+/m0/s1
InChIKey BLQLJNAGVLYHBK-WCQYABFASA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXpknc7fCeH
Name 5-(prop-2-ynyl)-1-oxaspiro[5.5]undecan-7-one
Alternate Name(s) (5R,6R)-5-(prop-2-yn-1-yl)-1-oxaspiro[5.5]undecan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-6-11-7-5-10-15-13(11)9-4-3-8-12(13)14/h1,11H,3-10H2/t11-,13+/m0/s1
InChIKey BLQLJNAGVLYHBK-WCQYABFASA-N
Literature Reference DOI 10.1039/c3cc49650c
Molecular Weight 206.285 g/mol
SMILES [C@@]12([C@](CCCO2)(CC#C)[H])C(CCCC1)=O
SPLASH splash10-0a6s-5910000000-8677ef770f8b1efc9291
Source of Spectrum KD-50-5691/SMS8-3e
Wiley ID 1754417